STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .22. CORRELATION ENERGY CORRECTIONS AS A FUNCTIONAL OF HARTREE-FOCK TYPE DENSITY AND ITS APPLICATION TO HOMONUCLEAR DIATOMIC-MOLECULES OF SECOND ROW ATOMS

被引：213

作者：

LIE, GC ^{[1
]}

CLEMENTI, E ^{[1
]}

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 04期

关键词：

D O I：

10.1063/1.1681193

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：1288 / 1296

页数：9

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CLEMENTI E, 1973, P JERUSALEM S, V4

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[7] EXTENDED HARTREE-FOCK GROUND-STATE WAVEFUNCTIONS FOR LITHIUM MOLECULE [J].

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[8] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].

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WAHL, AC .

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[9]

DAS G, 1970, ADV QUANTUM CHEMISTR, V5

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